2-adamantyl-[[3-chloranyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium

Systemtic Name: 2-adamantyl-[[3-chloranyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[3-chloro-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[3-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[3-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: 2-adamantyl-[3-chloro-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]ammonium Formula: C27H35ClNO2+ MolecularWeight: 441.0253

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)Cl)OCC5=CC=C(C=C5)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)Cl)OCC5=CC=C(C=C5)C

InChI

InChI=1S/C27H34ClNO2/c1-3-30-25-14-21(13-24(28)27(25)31-16-18-6-4-17(2)5-7-18)15-29-26-22-9-19-8-20(11-22)12-23(26)10-19/h4-7,13-14,19-20,22-23,26,29H,3,8-12,15-16H2,1-2H3/p+1